(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate

C18H17ClFNO5 — CID 2092706

IUPAC(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C18H17ClFNO5/c1-24-15-6-4-11(7-16(15)25-2)18(23)21-9-17(22)26-10-12-3-5-13(20)8-14(12)19/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyWLUNLDOKUUQIPQ-UHFFFAOYSA-N
MW381.79 g/mol
LogP2.97
Rot. Bonds7

About (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate

(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate (PubChem CID 2092706) has the molecular formula C18H17ClFNO5 and a molecular weight of 381.79 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
PubChem CID2092706
Molecular FormulaC18H17ClFNO5
Molecular Weight381.79 g/mol
Exact Mass381.08
IUPAC Name(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C18H17ClFNO5/c1-24-15-6-4-11(7-16(15)25-2)18(23)21-9-17(22)26-10-12-3-5-13(20)8-14(12)19/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyWLUNLDOKUUQIPQ-UHFFFAOYSA-N
XLogP2.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The IUPAC name of (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate (CID 2092706) is (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCc2ccc(F)cc2Cl)cc1OC.
What is the InChIKey of (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The InChIKey is WLUNLDOKUUQIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO5/c1-24-15-6-4-11(7-16(15)25-2)18(23)21-9-17(22)26-10-12-3-5-13(20)8-14(12)19/h3-8H,9-10H2,1-2H3,(H,21,23).
What are the key properties of (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate has a molecular weight of 381.79 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2092706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).